1-(5-fluoro-1,3-dimethylpyrazol-4-yl)-2-[2-(4-methylpentan-2-yl)phenyl]ethanone

C19H25FN2O — CID 149167244

IUPAC1-(5-fluoro-1,3-dimethylpyrazol-4-yl)-2-[2-(4-methylpentan-2-yl)phenyl]ethanone
SMILESCc1nn(C)c(F)c1C(=O)Cc1ccccc1C(C)CC(C)C
InChIInChI=1S/C19H25FN2O/c1-12(2)10-13(3)16-9-7-6-8-15(16)11-17(23)18-14(4)21-22(5)19(18)20/h6-9,12-13H,10-11H2,1-5H3
InChIKeyWYIZATFTYWAIGD-UHFFFAOYSA-N
MW316.42 g/mol
LogP4.44
Rot. Bonds6

About 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)-2-[2-(4-methylpentan-2-yl)phenyl]ethanone

1-(5-fluoro-1,3-dimethylpyrazol-4-yl)-2-[2-(4-methylpentan-2-yl)phenyl]ethanone (PubChem CID 149167244) has the molecular formula C19H25FN2O and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)-2-[2-(4-methylpentan-2-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-(5-fluoro-1,3-dimethylpyrazol-4-yl)-2-[2-(4-methylpentan-2-yl)phenyl]ethanone
PubChem CID149167244
Molecular FormulaC19H25FN2O
Molecular Weight316.42 g/mol
Exact Mass316.20
IUPAC Name1-(5-fluoro-1,3-dimethylpyrazol-4-yl)-2-[2-(4-methylpentan-2-yl)phenyl]ethanone
SMILESCc1nn(C)c(F)c1C(=O)Cc1ccccc1C(C)CC(C)C
InChIInChI=1S/C19H25FN2O/c1-12(2)10-13(3)16-9-7-6-8-15(16)11-17(23)18-14(4)21-22(5)19(18)20/h6-9,12-13H,10-11H2,1-5H3
InChIKeyWYIZATFTYWAIGD-UHFFFAOYSA-N
XLogP4.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)-2-[2-(4-methylpentan-2-yl)phenyl]ethanone?
The IUPAC name of 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)-2-[2-(4-methylpentan-2-yl)phenyl]ethanone (CID 149167244) is 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)-2-[2-(4-methylpentan-2-yl)phenyl]ethanone.
What is the SMILES notation for 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)-2-[2-(4-methylpentan-2-yl)phenyl]ethanone?
The canonical SMILES for 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)-2-[2-(4-methylpentan-2-yl)phenyl]ethanone is Cc1nn(C)c(F)c1C(=O)Cc1ccccc1C(C)CC(C)C.
What is the InChIKey of 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)-2-[2-(4-methylpentan-2-yl)phenyl]ethanone?
The InChIKey is WYIZATFTYWAIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O/c1-12(2)10-13(3)16-9-7-6-8-15(16)11-17(23)18-14(4)21-22(5)19(18)20/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)-2-[2-(4-methylpentan-2-yl)phenyl]ethanone?
1-(5-fluoro-1,3-dimethylpyrazol-4-yl)-2-[2-(4-methylpentan-2-yl)phenyl]ethanone has a molecular weight of 316.42 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1,3-dimethylpyrazol-4-yl)-2-[2-(4-methylpentan-2-yl)phenyl]ethanone is sourced from PubChem (CID 149167244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).